Magnesium in PDB 8fnn: Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound

The structure of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound also contains other interesting chemical elements:

Fluorine	(F)	4 atoms
Zinc	(Zn)	2 atoms

The binding sites of Magnesium atom in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound (pdb code 8fnn). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound, PDB code: 8fnn:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:3.4 occ:1.00 OAE F:DLU101 1.6 3.8 1.0 OD1 A:ASP64 2.1 5.7 1.0 O A:HOH457 2.1 7.3 1.0 O A:HOH414 2.1 0.0 1.0 OD2 A:ASP116 2.1 7.9 1.0 OAC F:DLU101 2.6 8.3 1.0 CAW F:DLU101 3.0 2.7 1.0 CG A:ASP64 3.1 1.7 1.0 CG A:ASP116 3.2 3.9 1.0 OD2 A:ASP64 3.4 4.7 1.0 CAS F:DLU101 3.4 5.8 1.0 OD1 A:ASP116 3.6 4.5 1.0 CAY F:DLU101 3.8 10.5 1.0 MG A:MG302 3.9 1.6 1.0 O A:HOH421 4.0 30.0 1.0 O A:CYS65 4.0 9.6 1.0 N1 F:DA21 4.1 30.5 0.4 CAZ F:DLU101 4.2 10.6 1.0 N A:CYS65 4.2 3.8 1.0 O A:HOH450 4.2 7.0 1.0 OAD F:DLU101 4.2 16.6 1.0 CE A:LYS148 4.3 2.2 1.0 NZ A:LYS148 4.4 4.1 1.0 CB A:ASP64 4.4 4.2 1.0 C2 F:DA21 4.4 29.1 0.4 CB A:ASP116 4.5 1.2 1.0 NBC F:DLU101 4.6 6.9 1.0 CA A:ASP64 4.7 2.9 1.0 OE2 A:GLU152 4.8 5.7 1.0 C A:CYS65 4.9 2.2 1.0 CA A:CYS65 5.0 2.9 1.0

Magnesium binding site 2 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg302 b:1.6 occ:1.00 OAD F:DLU101 1.8 16.6 1.0 O A:HOH450 2.1 7.0 1.0 OE2 A:GLU152 2.1 5.7 1.0 OD2 A:ASP64 2.1 4.7 1.0 OE1 A:GLU152 2.1 9.9 1.0 CD A:GLU152 2.4 7.9 1.0 CAZ F:DLU101 2.9 10.6 1.0 OAE F:DLU101 3.0 3.8 1.0 CG A:ASP64 3.2 1.7 1.0 CAW F:DLU101 3.3 2.7 1.0 OD1 A:ASP64 3.7 5.7 1.0 MG A:MG301 3.9 3.4 1.0 CG A:GLU152 3.9 5.1 1.0 ND2 A:ASN155 3.9 6.7 1.0 NZ A:LYS148 4.1 4.1 1.0 CAX F:DLU101 4.1 3.8 1.0 CE A:LYS148 4.2 2.2 1.0 O A:HOH414 4.3 0.0 1.0 CB A:ASP64 4.4 4.2 1.0 C5' F:DA21 4.5 30.9 0.6 C2 F:DA21 4.5 29.1 0.4 O A:CYS65 4.5 9.6 1.0 NAP F:DLU101 4.6 8.9 1.0 CB A:GLU152 4.8 5.1 1.0 CAR F:DLU101 4.8 9.6 1.0 FAG F:DLU101 4.8 6.0 1.0 OD2 A:ASP116 4.8 7.9 1.0 CAY F:DLU101 4.8 10.5 1.0 N3 F:DA21 4.9 29.8 0.4 OP1 F:DA21 4.9 27.0 0.6 CA A:GLU152 4.9 3.9 1.0 O3' F:DC20 4.9 20.8 1.0

Magnesium binding site 3 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg301 b:3.4 occ:1.00 OAE G:DLU304 1.6 3.8 1.0 OD1 G:ASP64 2.1 5.7 1.0 O G:HOH456 2.1 7.3 1.0 O G:HOH414 2.1 0.0 1.0 OD2 G:ASP116 2.1 7.9 1.0 OAC G:DLU304 2.6 8.3 1.0 CAW G:DLU304 3.0 2.7 1.0 CG G:ASP64 3.1 1.7 1.0 CG G:ASP116 3.2 3.9 1.0 OD2 G:ASP64 3.4 4.7 1.0 CAS G:DLU304 3.4 5.8 1.0 OD1 G:ASP116 3.6 4.5 1.0 CAY G:DLU304 3.8 10.5 1.0 MG G:MG302 3.9 1.6 1.0 O G:CYS65 4.0 9.6 1.0 N1 L:DA21 4.1 30.5 0.4 CAZ G:DLU304 4.1 10.6 1.0 OAD G:DLU304 4.2 16.6 1.0 N G:CYS65 4.2 3.8 1.0 O G:HOH449 4.2 7.0 1.0 CE G:LYS148 4.3 2.2 1.0 NZ G:LYS148 4.4 4.1 1.0 CB G:ASP64 4.4 4.2 1.0 C2 L:DA21 4.4 29.1 0.4 CB G:ASP116 4.5 1.2 1.0 NBC G:DLU304 4.6 6.9 1.0 CA G:ASP64 4.7 2.9 1.0 OE2 G:GLU152 4.8 5.7 1.0 C G:CYS65 4.9 2.2 1.0 CA G:CYS65 5.0 2.9 1.0

Magnesium binding site 4 out of 4 in the Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of E138K/G140A/Q148K Hiv-1 Intasome with Dolutegravir Bound within 5.0Å range: probe atom residue distance (Å) B Occ G:Mg302 b:1.6 occ:1.00 OAD G:DLU304 1.9 16.6 1.0 O G:HOH449 2.1 7.0 1.0 OE2 G:GLU152 2.1 5.7 1.0 OD2 G:ASP64 2.1 4.7 1.0 OE1 G:GLU152 2.1 9.9 1.0 CD G:GLU152 2.4 7.9 1.0 CAZ G:DLU304 2.9 10.6 1.0 OAE G:DLU304 3.0 3.8 1.0 CG G:ASP64 3.2 1.7 1.0 CAW G:DLU304 3.4 2.7 1.0 OD1 G:ASP64 3.7 5.7 1.0 MG G:MG301 3.9 3.4 1.0 CG G:GLU152 3.9 5.1 1.0 ND2 G:ASN155 3.9 6.7 1.0 NZ G:LYS148 4.1 4.1 1.0 CAX G:DLU304 4.1 3.8 1.0 CE G:LYS148 4.2 2.2 1.0 O G:HOH414 4.3 0.0 1.0 CB G:ASP64 4.4 4.2 1.0 C5' L:DA21 4.5 30.9 0.6 C2 L:DA21 4.5 29.1 0.4 O G:CYS65 4.5 9.6 1.0 NAP G:DLU304 4.5 8.9 1.0 CB G:GLU152 4.8 5.1 1.0 CAR G:DLU304 4.8 9.6 1.0 FAG G:DLU304 4.8 6.0 1.0 OD2 G:ASP116 4.8 7.9 1.0 CAY G:DLU304 4.9 10.5 1.0 N3 L:DA21 4.9 29.8 0.4 CA G:GLU152 4.9 3.9 1.0 OP1 L:DA21 4.9 27.0 0.6 O3' L:DC20 4.9 20.8 1.0

M.Li, D.Oliveira Passos, Z.Shan, S.J.Smith, Q.Sun, A.Biswas, I.Choudhuri, T.S.Strutzenberg, A.Haldane, N.Deng, Z.Li, X.Z.Zhao, L.Briganti, M.Kvaratskhelia, T.R.Burke Jr., R.M.Levy, S.H.Hughes, R.Craigie, D.Lyumkis. Mechanisms of Hiv-1 Integrase Resistance to Dolutegravir and Potent Inhibition of Drug-Resistant Variants. Sci Adv V. 9 G5953 2023.
ISSN: ESSN 2375-2548
PubMed: 37478179
DOI: 10.1126/SCIADV.ADG5953